Reaction Details Report a problem with these data
Target
Carbonic anhydrase 4
Ligand
BDBM50317402
Substrate
n/a
Meas. Tech.
ChEMBL_631615 (CHEMBL1106609)
IC50
64±n/a nM
Citation
Vernier, W; Chong, W; Rewolinski, D; Greasley, S; Pauly, T; Shaw, M; Dinh, D; Ferre, RA; Meador, JW; Nukui, S; Ornelas, M; Paz, RL; Reyner, E Thioether benzenesulfonamide inhibitors of carbonic anhydrases II and IV: structure-based drug design, synthesis, and biological evaluation. Bioorg Med Chem 18:3307-19 (2010) [PubMed] Article
More Info.:
Target
Name:
Carbonic anhydrase 4
Synonyms:
CA-IV | CA4 | CAH4_HUMAN | Carbonate dehydratase IV | Carbonic anhydrase | Carbonic anhydrase 4 (CA IV) | Carbonic anhydrase IV (CA IV)
Type:
Enzyme
Mol. Mass.:
35037.98
Organism:
Homo sapiens (Human)
Description:
P22748
Residue:
312
Sequence:
MRMLLALLALSAARPSASAESHWCYEVQAESSNYPCLVPVKWGGNCQKDRQSPINIVTTKAKVDKKLGRFFFSGYDKKQTWTVQNNGHSVMMLLENKASISGGGLPAPYQAKQLHLHWSDLPYKGSEHSLDGEHFAMEMHIVHEKEKGTSRNVKEAQDPEDEIAVLAFLVEAGTQVNEGFQPLVEALSNIPKPEMSTTMAESSLLDLLPKEEKLRHYFRYLGSLTTPTCDEKVVWTVFREPIQLHREQILAFSQKLYYDKEQTVSMKDNVRPLQQLGQRTVIKSGAPGRPLPWALPALLGPMLACLLAGFLR
Inhibitor
Name:
BDBM50317402
Synonyms:
5-(Aminosulfonyl)-N-(2-phenylethyl)-2-(phenylthio)-nicotinamide | CHEMBL1094898 | N-(2-phenylethyl)-2-(phenylsulfanyl)-5-sulfamoylpyridine-3-carboxamide
Type:
Small organic molecule
Emp. Form.:
C20H19N3O3S2
Mol. Mass.:
413.513
SMILES:
NS(=O)(=O)c1cnc(Sc2ccccc2)c(c1)C(=O)NCCc1ccccc1